BDBM27135 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide::VELIPARIB::benzimidazole carboxamide, 3a

SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1

InChI Key InChIKey=JNAHVYVRKWKWKQ-CYBMUJFWSA-N

Data  2 KI  45 IC50  2 Kd  5 EC50

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 27135   

TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  6nMAssay Description:Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometryMore data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  5nMAssay Description:Inhibition of human PARP1 expressed in Escherichia coli using biotinylated histone H1 as substrate measured in presence of [3H]NAD+ by topcount scint...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 1(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50:  2.90nMAssay Description:Inhibition of human PARP2 expressed in Escherichia coli using biotinylated histone H1 as substrate measured in presence of [3H]NAD+ by topcount scint...More data for this Ligand-Target Pair
TargetPoly [ADP-ribose] polymerase 2(Homo sapiens (Human))
St. John'S University

Curated by ChEMBL
LigandPNGBDBM27135(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Affinity DataIC50: <10nMAssay Description:Inhibition of human N-terminal GST-tagged PARP2 (2 to 583 residues) expressed in baculovirus infected Sf9 insect cells using histone as substrate mea...More data for this Ligand-Target Pair